3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 1-(2-oxidanylpropylamino)propan-2-ol

Systemtic Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 1-(2-oxidanylpropylamino)propan-2-ol Openeye Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 1-(2-hydroxypropylamino)propan-2-ol CAS Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 1-(2-hydroxypropylamino)-2-propanol IUPAC Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 1-(2-hydroxypropylamino)propan-2-ol Traditional Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; 1-(2-hydroxypropylamino)propan-2-ol Formula: C34H59NO8S2 MolecularWeight: 673.96416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C.CC(CNCC(C)O)O

Isomeric SMILES

CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C.CC(CNCC(C)O)O

InChI

InChI=1S/C28H44O6S2.C6H15NO2/c1-21(2)15-9-5-7-11-17-23-24-18-13-14-20-26(24)28(36(32,33)34)27(35(29,30)31)25(23)19-12-8-6-10-16-22(3)4;1-5(8)3-7-4-6(2)9/h13-14,18,20-22H,5-12,15-17,19H2,1-4H3,(H,29,30,31)(H,32,33,34);5-9H,3-4H2,1-2H3